Tert-butyl 7-amino-2-oxa-5-azaspiro[3.4]octane-5-carboxylate
Basic information
- CAS
1538626-90-2- Standard SMILES
CC(C)(C)OC(=O)N1CC(N)CC12COC2- InChIKey
WNVJAHZTVFGIDW-UHFFFAOYSA-N- Molecular formula
- C11H20N2O3
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.1473925
Names & identifiers
- Preferred name
- Tert-butyl 7-amino-2-oxa-5-azaspiro[3.4]octane-5-carboxylate
- IUPAC
- tert-butyl 7-amino-2-oxa-5-azaspiro[3.4]octane-5-carboxylate
- English name
- tert-butyl 7-amino-2-oxa-5-azaspiro[3.4]octane-5-carboxylate
- Molecular formula
- C11H20N2O3
- Molecular weight
- 228.29
Names & synonyms
tert-butyl 7-amino-2-oxa-5-azaspiro[3.4]octane-5-carboxylate1538626-90-2tert-butyl 7-amino-2-oxa-5-azaspiro(3.4)octane-5-carboxylateRefChem:894468109-628-0MFCD30802935SCHEMBL15415964WNVJAHZTVFGIDW-UHFFFAOYSA-NAKOS040810637AT10558PS-17721SY340689
Show more names
1,1-Dimethylethyl 7-amino-2-oxa-5-azaspiro[3.4]octane-5-carboxylate2-Oxa-5-azaspiro[3.4]octane-5-carboxylic acid, 7-amino-, 1,1-dimethylethyl ester
DB-100649CS-00580255-Boc-2-oxa-5-azaspiro[3.4]octan-7-amine5-Boc-7-amino-2-oxa-5-azaspiro[3.4]octanetert-butyl7-amino-2-oxa-5-azaspiro[3.4]octane-5-carboxylate
Database identifiers
- CAS
1538626-90-2- PubChem CID
- 89924062
- EC Number
- 109-628-0
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Boiling point
- 331.2 · 331.2±42.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 9.63 · 9.63±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
2 records
Compound notes
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